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Ligand · 4Y5

4Y5 · 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid

4Y5, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid (C22 H10 Cl F5 N2 O3, 480.8 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its…

Component
4Y5
Formula
C22 H10 Cl F5 N2 O3
Class
ligand
Structures
3
PDB entries
3

Binding sites

4Y5 in 3 structures; the first of them:

  • 5C4S · Identification of a Novel Allosteric Binding Site for RORgt Inhibitors · 4Y5 A601 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 17 more
  • 8FAV · Human retenoid-related orphan receptor-gamma (RORC2) ligand-binding domain in complex… · 4Y5 A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 16 more
  • 8FB1 · HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX… · 4Y5 A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 12 more

Residues it binds most

LEU 6, ALA 6, GLN 6, PHE 5, ILE 5, VAL 4, LYS 6, MET 5, THR 5, TRP 5 (residue and the binding sites it lines).

Found with

  • LKY · 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl) benzamide
  • XNR · N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide
  • SO4 · Sulfate ion
  • GOL · Glycerol

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